[methoxy(2,2,2-trifluoroethyl)phosphoryl]oxycyclohexane

C9H16F3O3P — CID 87128036

IUPAC[methoxy(2,2,2-trifluoroethyl)phosphoryl]oxycyclohexane
SMILESCOP(=O)(CC(F)(F)F)OC1CCCCC1
InChIInChI=1S/C9H16F3O3P/c1-14-16(13,7-9(10,11)12)15-8-5-3-2-4-6-8/h8H,2-7H2,1H3
InChIKeyUICWAOPBMPJCDB-UHFFFAOYSA-N
MW260.19 g/mol
LogP3.74
Rot. Bonds4

About [methoxy(2,2,2-trifluoroethyl)phosphoryl]oxycyclohexane

[methoxy(2,2,2-trifluoroethyl)phosphoryl]oxycyclohexane (PubChem CID 87128036) has the molecular formula C9H16F3O3P and a molecular weight of 260.19 g/mol. Its IUPAC name is [methoxy(2,2,2-trifluoroethyl)phosphoryl]oxycyclohexane.

Molecular Properties

Compound Name[methoxy(2,2,2-trifluoroethyl)phosphoryl]oxycyclohexane
PubChem CID87128036
Molecular FormulaC9H16F3O3P
Molecular Weight260.19 g/mol
Exact Mass260.08
IUPAC Name[methoxy(2,2,2-trifluoroethyl)phosphoryl]oxycyclohexane
SMILESCOP(=O)(CC(F)(F)F)OC1CCCCC1
InChIInChI=1S/C9H16F3O3P/c1-14-16(13,7-9(10,11)12)15-8-5-3-2-4-6-8/h8H,2-7H2,1H3
InChIKeyUICWAOPBMPJCDB-UHFFFAOYSA-N
XLogP3.74
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.19
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

[ethyl(methoxy)phosphoryl]oxycyclopentane
CID 87128122
[cyclohexyl(2,2,2-trifluoroethyl)phosphoryl]oxycyclohexane
CID 66729721
[fluoro(methyl)phosphoryl]oxycyclohexane
CID 14366907
cyclohexyl dimethyl phosphate;N,N-dimethylmethanamine
CID 174717121
cyclopentyl fluoro methyl phosphate
CID 66729749
cyclohexyl ethyl methyl phosphate
CID 66729683
[methyl(1,1,2,2,2-pentafluoroethoxy)phosphoryl]oxycyclohexane
CID 87127848
tricyclooctyl phosphate
CID 22995283
2,2,2-trifluoroethoxycycloheptane
CID 148866146
[ethoxy(2,2,2-trifluoroethyl)phosphoryl]cyclohexane
CID 66796520
[fluoro(methyl)phosphoryl]oxycyclopentane;propane
CID 91381974
[ethyl(methyl)phosphoryl]oxycyclohexane
CID 66729701

Frequently Asked Questions

What is the IUPAC name of [methoxy(2,2,2-trifluoroethyl)phosphoryl]oxycyclohexane?
The IUPAC name of [methoxy(2,2,2-trifluoroethyl)phosphoryl]oxycyclohexane (CID 87128036) is [methoxy(2,2,2-trifluoroethyl)phosphoryl]oxycyclohexane.
What is the SMILES notation for [methoxy(2,2,2-trifluoroethyl)phosphoryl]oxycyclohexane?
The canonical SMILES for [methoxy(2,2,2-trifluoroethyl)phosphoryl]oxycyclohexane is COP(=O)(CC(F)(F)F)OC1CCCCC1.
What is the InChIKey of [methoxy(2,2,2-trifluoroethyl)phosphoryl]oxycyclohexane?
The InChIKey is UICWAOPBMPJCDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3O3P/c1-14-16(13,7-9(10,11)12)15-8-5-3-2-4-6-8/h8H,2-7H2,1H3.
What are the key properties of [methoxy(2,2,2-trifluoroethyl)phosphoryl]oxycyclohexane?
[methoxy(2,2,2-trifluoroethyl)phosphoryl]oxycyclohexane has a molecular weight of 260.19 g/mol, XLogP of 3.74, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [methoxy(2,2,2-trifluoroethyl)phosphoryl]oxycyclohexane is sourced from PubChem (CID 87128036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).